SCHEMBL6801256

SCHEMBL6801256

COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.76
RAB9A P51151 9/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
TP53 P04637 3/20 0.76
ALOX15 P16050 1/20 0.76
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP1A2 P05177 2/20 0.67
LMNA P02545 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MLYCD O95822 1/20 0.61
MAPT P10636 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7281985 1.00 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22495460 0.89 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL22192205 0.88 RAB9A (0.73) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL9337665 0.87 MLYCD (0.76) NPC1RAB9AKDM4ELMNAMLYCD
SCHEMBL6263516 0.87 MLYCD (0.76) NPC1RAB9AKDM4ELMNAMLYCD
SCHEMBL6799157 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7374369 0.86 RAB9A (0.78) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL2833360 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL31311144 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL14228193 0.85 MLYCD (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP claimed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US claimed
EP-0473140-A2 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-03-04 EP claimed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP disclosed
EP-0424689-B1 Fiber-type wavelenghth converting device SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-09-13 EP disclosed
US-5323261-A Harmonic generating device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1994-06-21 US disclosed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed
EP-0473140-A2 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-03-04 EP disclosed
US-5022738-A Optical fiber nonlinear wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-06-11 US disclosed
EP-0424689-A2 Fiber-type wavelenghth converting device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-05-02 EP disclosed
EP-0420156-A1 Wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-04-03 EP disclosed